1-Mesityl-1H-pyrrole-3-carbaldehyde | 864547-98-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-Mesityl-1H-pyrrole-3-carbaldehyde
• 英文别名: 1-(2,4,6-trimethylphenyl)pyrrole-3-carbaldehyde
• CAS: 864547-98-8
• 化学式: C₁₄H₁₅NO
• mdl: MFCD06653506
• 分子量: 213.279
• InChiKey: ORNCBLAKBVEBRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-Mesityl-1H-pyrrole-3-carbaldehyde 在 乙酸铵 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 9.0h， 生成 2-[1-(2,4,6-Trimethylphenyl)pyrrol-3-yl]ethanamine
  参考文献：
  名称：

  Novel aminoethylbiphenyls as 5-HT7 receptor ligands

  摘要：

  The synthesis of a series of aminoethylbiphenyls as novel 5-HT7 receptor ligands is described. The novel derivatives exhibit high affinity for the 5-HT7 receptor with selectivity toward 5-HT1A receptor. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.054
• 作为产物：
  描述：

  2,4,6-三甲基苯胺 在 溶剂黄146 、 三氯氧磷 作用下， 反应 3.0h， 生成 1-Mesityl-1H-pyrrole-3-carbaldehyde
  参考文献：
  名称：

  Phenylpyrroles, a new chemolibrary virtual screening class of 5-HT7 receptor ligands

  摘要：

  Virtual screening studies have identified a series of phenylpyrroles as novel 5-HT7 receptor ligands. The synthesis and the affinity for the 5-HT7 receptor of these phenylpyrroles are described. Some of these compounds exhibited high affinity for the 5-HT7 receptors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.059

文献信息

• Novel aminoethylbiphenyls as 5-HT7 receptor ligands
  作者：Magalie Paillet-Loilier、Frédéric Fabis、Alban Lepailleur、Ronan Bureau、Sabrina Butt-Gueulle、François Dauphin、Aurélien Lesnard、Catherine Delarue、Hubert Vaudry、Sylvain Rault

  DOI：10.1016/j.bmcl.2007.03.054

  日期：2007.6

  The synthesis of a series of aminoethylbiphenyls as novel 5-HT7 receptor ligands is described. The novel derivatives exhibit high affinity for the 5-HT7 receptor with selectivity toward 5-HT1A receptor. (C) 2007 Elsevier Ltd. All rights reserved.
• Phenylpyrroles, a new chemolibrary virtual screening class of 5-HT7 receptor ligands
  作者：Magalie Paillet-Loilier、Frédéric Fabis、Alban Lepailleur、Ronan Bureau、Sabrina Butt-Gueulle、François Dauphin、Catherine Delarue、Hubert Vaudry、Sylvain Rault

  DOI：10.1016/j.bmcl.2005.05.059

  日期：2005.8

  Virtual screening studies have identified a series of phenylpyrroles as novel 5-HT7 receptor ligands. The synthesis and the affinity for the 5-HT7 receptor of these phenylpyrroles are described. Some of these compounds exhibited high affinity for the 5-HT7 receptors. (c) 2005 Elsevier Ltd. All rights reserved.